N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide

C15H19N3O3S — CID 167914863

IUPACN-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(=O)Cc2cc(C)nn2C)c1
InChIInChI=1S/C15H19N3O3S/c1-10-5-6-11(2)14(7-10)22(20,21)17-15(19)9-13-8-12(3)16-18(13)4/h5-8H,9H2,1-4H3,(H,17,19)
InChIKeyDLXMJBWPRVHUCO-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.39
Rot. Bonds4

About N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide

N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 167914863) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID167914863
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(=O)Cc2cc(C)nn2C)c1
InChIInChI=1S/C15H19N3O3S/c1-10-5-6-11(2)14(7-10)22(20,21)17-15(19)9-13-8-12(3)16-18(13)4/h5-8H,9H2,1-4H3,(H,17,19)
InChIKeyDLXMJBWPRVHUCO-UHFFFAOYSA-N
XLogP1.39
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)sulfonyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 78884658
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide
CID 146132180
N-(3,5-dimethylphenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110857445
2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 110836652
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide
CID 47269187
N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide
CID 47269188
6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide
CID 47052057
2-(2,5-dimethylpyrazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110858132
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide (CID 167914863) is N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1ccc(C)c(S(=O)(=O)NC(=O)Cc2cc(C)nn2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is DLXMJBWPRVHUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10-5-6-11(2)14(7-10)22(20,21)17-15(19)9-13-8-12(3)16-18(13)4/h5-8H,9H2,1-4H3,(H,17,19).
What are the key properties of N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide?
N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 167914863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).